1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone

C15H14ClNO — CID 105123580

IUPAC1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone
SMILESCc1cccc(C)c1CC(=O)c1ccncc1Cl
InChIInChI=1S/C15H14ClNO/c1-10-4-3-5-11(2)13(10)8-15(18)12-6-7-17-9-14(12)16/h3-7,9H,8H2,1-2H3
InChIKeyGBPWLGRXAGQUAT-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.78
Rot. Bonds3

About 1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone

1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone (PubChem CID 105123580) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone
PubChem CID105123580
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone
SMILESCc1cccc(C)c1CC(=O)c1ccncc1Cl
InChIInChI=1S/C15H14ClNO/c1-10-4-3-5-11(2)13(10)8-15(18)12-6-7-17-9-14(12)16/h3-7,9H,8H2,1-2H3
InChIKeyGBPWLGRXAGQUAT-UHFFFAOYSA-N
XLogP3.78
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 106865109
1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655327
1-(3-chloro-4-pyridinyl)-2-phenylethanone
CID 105077956
(3-chloro-4-pyridinyl)-(2,3-dimethylphenyl)methanone
CID 105093856
1-(2-chloro-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792581
1-(2,5-dichlorophenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792475
1-(3-amino-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 116604299
3-[2-(3-chloro-4-pyridinyl)-2-oxoethyl]-5-methyl-1H-pyridin-2-one
CID 58148183
2-(4-tert-butylphenyl)-1-(3-chloro-4-pyridinyl)ethanone
CID 105089516
1-(3-chloro-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
CID 105126307
3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide
CID 79079687
3-chloro-N-(2,3-dimethylphenyl)pyridine-4-carboxamide
CID 66462249

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone (CID 105123580) is 1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone is Cc1cccc(C)c1CC(=O)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone?
The InChIKey is GBPWLGRXAGQUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-10-4-3-5-11(2)13(10)8-15(18)12-6-7-17-9-14(12)16/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone?
1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone has a molecular weight of 259.74 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone is sourced from PubChem (CID 105123580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).